Geometry & MOs

Info

ID:

312222

PubChem CID:

126603654

Reduced:

N2O5H14C26 (1)

Stoich.:

A2B5C14D26 (1)

Weight, g/mol:

715.276373

ΔHf, kcal/mol:

-58.73

Dipole, Da:

3.46

IP(EA), eV:

 -8.73(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[4-[hydroxy-[[1-methyl-5-[(4R)-4-(phenylmethoxycarbonylamino)azepan-1-yl]pyrazol-4-yl]amino]methyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]carbamate

Drug info:

PubChemData

Smile

C1/C(=C/2\C3=CC4=C(C=C3OC2=O)/C(=C\5/C6=CC=CC=C6NC5=O)/C(=O)O4)/C7=CC=CC=C7N1

DOS

IR

Vibrations